(12E)-12-[5-(hydroxymethyl)-2-oxidanylidene-5-(phenylmethoxymethyl)oxolan-3-ylidene]dodecanoic acid

Systemtic Name: (12E)-12-[5-(hydroxymethyl)-2-oxidanylidene-5-(phenylmethoxymethyl)oxolan-3-ylidene]dodecanoic acid Openeye Name: (12E)-12-[5-(benzyloxymethyl)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran-3-ylidene]dodecanoic acid CAS Name: (12E)-12-[5-(hydroxymethyl)-2-oxo-5-(phenylmethoxymethyl)-3-oxolanylidene]dodecanoic acid IUPAC Name: (12E)-12-[5-(hydroxymethyl)-2-oxo-5-(phenylmethoxymethyl)oxolan-3-ylidene]dodecanoic acid Traditional Name: (12E)-12-[5-(benzoxymethyl)-2-keto-5-methylol-tetrahydrofuran-3-ylidene]lauric acid Formula: C25H36O6 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CCCCCCCCCCCC(=O)O)C(=O)OC1(CO)COCC2=CC=CC=C2

Isomeric SMILES

C1/C(=C\CCCCCCCCCCC(=O)O)/C(=O)OC1(CO)COCC2=CC=CC=C2

InChI

InChI=1S/C25H36O6/c26-19-25(20-30-18-21-13-9-8-10-14-21)17-22(24(29)31-25)15-11-6-4-2-1-3-5-7-12-16-23(27)28/h8-10,13-15,26H,1-7,11-12,16-20H2,(H,27,28)/b22-15+